N-(4-phenacylsulfanylphenyl)benzenesulfonamide

C20H17NO3S2 — CID 19629665

IUPACN-(4-phenacylsulfanylphenyl)benzenesulfonamide
SMILESO=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H17NO3S2/c22-20(16-7-3-1-4-8-16)15-25-18-13-11-17(12-14-18)21-26(23,24)19-9-5-2-6-10-19/h1-14,21H,15H2
InChIKeyZBSDIYMFGDLBPK-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.46
Rot. Bonds7

About N-(4-phenacylsulfanylphenyl)benzenesulfonamide

N-(4-phenacylsulfanylphenyl)benzenesulfonamide (PubChem CID 19629665) has the molecular formula C20H17NO3S2 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(4-phenacylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-phenacylsulfanylphenyl)benzenesulfonamide
PubChem CID19629665
Molecular FormulaC20H17NO3S2
Molecular Weight383.49 g/mol
Exact Mass383.06
IUPAC NameN-(4-phenacylsulfanylphenyl)benzenesulfonamide
SMILESO=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H17NO3S2/c22-20(16-7-3-1-4-8-16)15-25-18-13-11-17(12-14-18)21-26(23,24)19-9-5-2-6-10-19/h1-14,21H,15H2
InChIKeyZBSDIYMFGDLBPK-UHFFFAOYSA-N
XLogP4.46
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 22782755
N-[4-[2-(9H-fluoren-2-yl)-2-oxoethyl]sulfanylphenyl]benzenesulfonamide
CID 23096843
4-[[2-[4-(benzenesulfonamido)phenyl]sulfanylacetyl]amino]benzoic acid
CID 22781476
2-[4-(phenylsulfamoyl)phenyl]sulfanylacetamide
CID 5296763
N-[4-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22778694
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-phenylacetamide
CID 22776004
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 19631448
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
1-(4-phenacylsulfanylphenyl)propan-1-one
CID 82164519
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylacetamide
CID 94841476
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 23101518

Frequently Asked Questions

What is the IUPAC name of N-(4-phenacylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of N-(4-phenacylsulfanylphenyl)benzenesulfonamide (CID 19629665) is N-(4-phenacylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-phenacylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for N-(4-phenacylsulfanylphenyl)benzenesulfonamide is O=C(CSc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-(4-phenacylsulfanylphenyl)benzenesulfonamide?
The InChIKey is ZBSDIYMFGDLBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S2/c22-20(16-7-3-1-4-8-16)15-25-18-13-11-17(12-14-18)21-26(23,24)19-9-5-2-6-10-19/h1-14,21H,15H2.
What are the key properties of N-(4-phenacylsulfanylphenyl)benzenesulfonamide?
N-(4-phenacylsulfanylphenyl)benzenesulfonamide has a molecular weight of 383.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenacylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 19629665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).